2-(oxiran-2-yl)-1,1-diphenylethanamine

C16H17NO — CID 154084026

IUPAC2-(oxiran-2-yl)-1,1-diphenylethanamine
SMILESNC(CC1CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c17-16(11-15-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2
InChIKeyNKPJSMXCNAWGHW-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.68
Rot. Bonds4

About 2-(oxiran-2-yl)-1,1-diphenylethanamine

2-(oxiran-2-yl)-1,1-diphenylethanamine (PubChem CID 154084026) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-(oxiran-2-yl)-1,1-diphenylethanamine.

Molecular Properties

Compound Name2-(oxiran-2-yl)-1,1-diphenylethanamine
PubChem CID154084026
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name2-(oxiran-2-yl)-1,1-diphenylethanamine
SMILESNC(CC1CO1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H17NO/c17-16(11-15-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2
InChIKeyNKPJSMXCNAWGHW-UHFFFAOYSA-N
XLogP2.68
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-yl)-1,1-diphenylethanamine?
The IUPAC name of 2-(oxiran-2-yl)-1,1-diphenylethanamine (CID 154084026) is 2-(oxiran-2-yl)-1,1-diphenylethanamine.
What is the SMILES notation for 2-(oxiran-2-yl)-1,1-diphenylethanamine?
The canonical SMILES for 2-(oxiran-2-yl)-1,1-diphenylethanamine is NC(CC1CO1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(oxiran-2-yl)-1,1-diphenylethanamine?
The InChIKey is NKPJSMXCNAWGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c17-16(11-15-12-18-15,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15H,11-12,17H2.
What are the key properties of 2-(oxiran-2-yl)-1,1-diphenylethanamine?
2-(oxiran-2-yl)-1,1-diphenylethanamine has a molecular weight of 239.32 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-yl)-1,1-diphenylethanamine is sourced from PubChem (CID 154084026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).